NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3174 8.2649 123.5821 51.9603 20.7054 177.6580 3 K 4.0641 7.8243 113.5141 55.8263 32.7417 174.8854 4 R 4.5069 8.3219 119.7117 54.1706 33.6875 175.7032 5 V 3.7544 8.2998 122.4171 62.2277 32.3297 175.3992 6 A 4.2421 8.2109 126.5581 51.7472 19.0054 177.3813 7 D 4.5114 8.6985 120.4213 57.5074 41.0346 177.2944 8 A 4.5132 7.3363 117.5325 50.7889 21.9557 175.1258 9 Q 4.1722 8.4498 121.5766 55.0994 29.2144 176.0694 10 I 4.1097 7.9966 119.0897 60.9266 38.8088 175.0228 11 Q 4.5731 8.0610 118.6979 54.2191 32.8297 175.9670 12 R 3.9354 8.6710 120.5265 59.6941 30.3801 177.9582 13 E 4.1769 8.2896 116.3896 58.8613 29.7529 177.6219 14 T 4.3284 7.7485 106.7574 62.6354 70.3122 174.7088 15 Y 4.2127 8.0332 123.1458 57.8865 39.1072 174.8016 16 D 4.7072 8.0178 125.5949 52.4190 43.9231 175.0090 17 S 4.3174 8.5891 121.6749 59.0117 64.6215 174.8865 18 N 4.8017 7.5002 117.5325 50.5556 38.0264 179.0622 *28 T 4.2112 7.5947 118.5876 63.1039 70.2297 173.6742 29 K 4.4617 8.1968 122.4708 54.7000 33.7412 177.4773 30 V 3.7946 8.1147 122.5203 62.4522 32.7102 174.5945 31 A 4.5939 8.0723 123.6299 50.6200 20.4533 177.9429 32 S 4.1522 8.4272 113.8265 62.7223 63.3339 174.3106 33 S 4.7175 8.7866 117.5118 58.5125 59.7224 171.6553 34 A 3.9017 8.2623 122.3845 55.3428 18.0818 179.1417 35 V 4.7235 7.3649 111.7025 63.1996 31.5922 176.6365 36 M 4.7212 7.9618 117.8918 54.5937 34.2466 176.4969 37 N 4.5822 7.6775 115.1880 54.4852 38.0696 175.7613 38 R 4.4677 7.3870 114.3777 55.9980 29.6427 176.1751 39 R 4.5414 7.5617 115.3010 55.0852 33.9918 175.1069 40 K 4.1710 8.4640 122.2692 55.1086 31.4623 176.1783 41 I 4.0902 7.9638 127.7631 59.2821 36.5044 175.7690 42 A 4.0853 8.3683 129.0285 52.2681 18.8057 176.5194 43 M 4.4563 8.3413 122.7389 53.0685 32.8980 173.9129 44 P 3.9569 0.0000 0.0000 63.4238 32.2126 175.4681 45 K 3.9647 9.2642 124.4392 57.2572 29.6053 176.0111 46 R 4.2511 7.9452 121.1797 56.3222 29.3610 175.8240 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 A 8.26 4.32 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 7.82 4.06 0.00 1.84 1.75 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.46 7.81 4 R 8.32 4.51 0.00 1.74 1.81 0.00 3.21 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 5 V 8.30 3.75 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.92 0.00 0.00 6 A 8.21 4.24 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.70 4.51 0.00 2.69 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.34 4.51 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.45 4.17 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 10 I 8.00 4.11 1.48 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.44 0.85 0.00 0.00 11 Q 8.06 4.57 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 12 R 8.67 3.94 0.00 1.77 1.97 0.00 3.25 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 13 E 8.29 4.18 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 14 T 7.75 4.33 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 15 Y 8.03 4.21 0.00 2.98 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.02 4.71 0.00 2.53 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.59 4.32 0.00 3.93 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 7.50 4.80 0.00 2.67 2.59 0.00 0.00 6.97 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *28 T 7.59 4.21 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 29 K 8.20 4.46 0.00 1.73 1.72 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.40 7.81 30 V 8.11 3.79 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 31 A 8.07 4.59 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.43 4.15 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.79 4.72 0.00 3.94 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.26 3.90 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.36 4.72 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.93 0.00 0.00 36 M 7.96 4.72 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 37 N 7.68 4.58 0.00 2.81 2.94 0.00 0.00 6.96 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.39 4.47 0.00 1.94 2.17 0.00 3.06 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 39 R 7.56 4.54 0.00 1.83 1.80 0.00 3.19 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 40 K 8.46 4.17 0.00 1.68 1.75 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.50 7.81 41 I 7.96 4.09 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.69 0.91 0.00 0.00 42 A 8.37 4.09 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 M 8.34 4.46 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 44 P 0.00 3.96 0.00 2.13 2.01 0.00 3.92 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 45 K 9.26 3.96 0.00 2.05 2.08 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.22 0.81 7.81 46 R 7.95 4.25 0.00 1.93 2.20 0.00 3.29 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.